(3-chloranyl-5-fluoranyl-thiophen-2-yl) 2-[1,2-diazinan-1-ylcarbothioyl(phenyl)amino]sulfanylethanoate

Systemtic Name: (3-chloranyl-5-fluoranyl-thiophen-2-yl) 2-[1,2-diazinan-1-ylcarbothioyl(phenyl)amino]sulfanylethanoate Openeye Name: (3-chloro-5-fluoro-2-thienyl) 2-[N-(hexahydropyridazine-1-carbothioyl)anilino]sulfanylacetate CAS Name: 2-[(N-[1-diazinanyl(sulfanylidene)methyl]anilino)thio]acetic acid (3-chloro-5-fluoro-2-thiophenyl) ester IUPAC Name: (3-chloro-5-fluorothiophen-2-yl) 2-[N-(diazinane-1-carbothioyl)anilino]sulfanylacetate Traditional Name: 2-[[N-(hexahydropyridazine-1-carbothioyl)anilino]thio]acetic acid (3-chloro-5-fluoro-2-thienyl) ester Formula: C17H17ClFN3O2S3 MolecularWeight: 445.982183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(NC1)C(=S)N(C2=CC=CC=C2)SCC(=O)OC3=C(C=C(S3)F)Cl

Isomeric SMILES

C1CCN(NC1)C(=S)N(C2=CC=CC=C2)SCC(=O)OC3=C(C=C(S3)F)Cl

InChI

InChI=1S/C17H17ClFN3O2S3/c18-13-10-14(19)27-16(13)24-15(23)11-26-22(12-6-2-1-3-7-12)17(25)21-9-5-4-8-20-21/h1-3,6-7,10,20H,4-5,8-9,11H2